SCHEMBL22328867

SCHEMBL22328867

Cc1cc(C#N)ccc1-c1c2c(c(-c3ccc(C#N)cc3C)c3ccccc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2-c2ccccc2)c2cc3ccccc3c3c4ccccc4c(c51)c23

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22328881 0.88 DPP4 (0.35) CA1CA2ALDH1A1ATMABCG2
SCHEMBL21888689 0.76 ATM (0.33) ALDH1A1ATMABCG2MEN1KMT2A
SCHEMBL22328865 0.76 GPR84 (0.38) ALDH1A1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL22328891 0.75 MAPT (0.40) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL22328885 0.75 AHR (0.36) ALDH1A1MEN1CYP1A2CYP2C9TSHR
SCHEMBL22328893 0.75 ENPP1 (0.33)
SCHEMBL22328864 0.75 MBNL1 (0.33) ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL22727720 0.73 PARP14 (0.33) CA1CA2ALDH1A1TSHRHSD17B10
SCHEMBL17487146 0.73 CA1 (0.39) CA1CA2ALDH1A1MEN1LMNA
SCHEMBL17487145 0.73 CA1 (0.39) CA1CA2ALDH1A1MEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255358-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2020-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200255358-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CCNL2, MCM4, CCNT1 CA1 1386/4885CA2 2105/4885ALDH1A1 367/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.